[2,7-dihydroxy-8-(4-phenoxybenzoyl)naphthalen-1-yl]-(4-phenoxyphenyl)methanone

C36H24O6 — CID 139085201

IUPAC[2,7-dihydroxy-8-(4-phenoxybenzoyl)naphthalen-1-yl]-(4-phenoxyphenyl)methanone
SMILESO=C(c1ccc(Oc2ccccc2)cc1)c1c(O)ccc2ccc(O)c(C(=O)c3ccc(Oc4ccccc4)cc3)c12
InChIInChI=1S/C36H24O6/c37-30-21-15-23-16-22-31(38)34(36(40)25-13-19-29(20-14-25)42-27-9-5-2-6-10-27)32(23)33(30)35(39)24-11-17-28(18-12-24)41-26-7-3-1-4-8-26/h1-22,37-38H
InChIKeyJMBDMCRCKQGRGO-UHFFFAOYSA-N
MW552.58 g/mol
LogP8.30
Rot. Bonds8

About [2,7-dihydroxy-8-(4-phenoxybenzoyl)naphthalen-1-yl]-(4-phenoxyphenyl)methanone

[2,7-dihydroxy-8-(4-phenoxybenzoyl)naphthalen-1-yl]-(4-phenoxyphenyl)methanone (PubChem CID 139085201) has the molecular formula C36H24O6 and a molecular weight of 552.58 g/mol. Its IUPAC name is [2,7-dihydroxy-8-(4-phenoxybenzoyl)naphthalen-1-yl]-(4-phenoxyphenyl)methanone.

Molecular Properties

Compound Name[2,7-dihydroxy-8-(4-phenoxybenzoyl)naphthalen-1-yl]-(4-phenoxyphenyl)methanone
PubChem CID139085201
Molecular FormulaC36H24O6
Molecular Weight552.58 g/mol
Exact Mass552.16
IUPAC Name[2,7-dihydroxy-8-(4-phenoxybenzoyl)naphthalen-1-yl]-(4-phenoxyphenyl)methanone
SMILESO=C(c1ccc(Oc2ccccc2)cc1)c1c(O)ccc2ccc(O)c(C(=O)c3ccc(Oc4ccccc4)cc3)c12
InChIInChI=1S/C36H24O6/c37-30-21-15-23-16-22-31(38)34(36(40)25-13-19-29(20-14-25)42-27-9-5-2-6-10-27)32(23)33(30)35(39)24-11-17-28(18-12-24)41-26-7-3-1-4-8-26/h1-22,37-38H
InChIKeyJMBDMCRCKQGRGO-UHFFFAOYSA-N
XLogP8.30
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.58
LogP ≤ 58.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(8-benzoyl-2,7-dihydroxynaphthalen-1-yl)-phenylmethanone
CID 139061724
(8-benzoyl-2,7-diphenoxynaphthalen-1-yl)-phenylmethanone
CID 139086935
ethane;[4-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 142280871
[4-[4-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 14669951
(4-phenoxyphenyl)-[4-(4-phenoxyphenyl)phenyl]methanone
CID 134445747
[3,5-bis(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 11571089
(4-phenoxyphenyl)-[2,3,4-trihydroxy-5-(naphthalene-2-carbonyl)phenyl]methanone
CID 58626356
(4-bromophenyl)-(4-phenoxyphenyl)methanone
CID 139928353
[4-(4-methylphenoxy)phenyl]-(4-phenoxyphenyl)methanone
CID 139804572
bis[4-(2-phenoxyphenoxy)phenyl]methanone
CID 19849453
4-phenoxybenzoic acid;hydrochloride
CID 70385625
4-(4-phenoxyphenoxy)benzoyl fluoride
CID 19017949

Frequently Asked Questions

What is the IUPAC name of [2,7-dihydroxy-8-(4-phenoxybenzoyl)naphthalen-1-yl]-(4-phenoxyphenyl)methanone?
The IUPAC name of [2,7-dihydroxy-8-(4-phenoxybenzoyl)naphthalen-1-yl]-(4-phenoxyphenyl)methanone (CID 139085201) is [2,7-dihydroxy-8-(4-phenoxybenzoyl)naphthalen-1-yl]-(4-phenoxyphenyl)methanone.
What is the SMILES notation for [2,7-dihydroxy-8-(4-phenoxybenzoyl)naphthalen-1-yl]-(4-phenoxyphenyl)methanone?
The canonical SMILES for [2,7-dihydroxy-8-(4-phenoxybenzoyl)naphthalen-1-yl]-(4-phenoxyphenyl)methanone is O=C(c1ccc(Oc2ccccc2)cc1)c1c(O)ccc2ccc(O)c(C(=O)c3ccc(Oc4ccccc4)cc3)c12.
What is the InChIKey of [2,7-dihydroxy-8-(4-phenoxybenzoyl)naphthalen-1-yl]-(4-phenoxyphenyl)methanone?
The InChIKey is JMBDMCRCKQGRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24O6/c37-30-21-15-23-16-22-31(38)34(36(40)25-13-19-29(20-14-25)42-27-9-5-2-6-10-27)32(23)33(30)35(39)24-11-17-28(18-12-24)41-26-7-3-1-4-8-26/h1-22,37-38H.
What are the key properties of [2,7-dihydroxy-8-(4-phenoxybenzoyl)naphthalen-1-yl]-(4-phenoxyphenyl)methanone?
[2,7-dihydroxy-8-(4-phenoxybenzoyl)naphthalen-1-yl]-(4-phenoxyphenyl)methanone has a molecular weight of 552.58 g/mol, XLogP of 8.30, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2,7-dihydroxy-8-(4-phenoxybenzoyl)naphthalen-1-yl]-(4-phenoxyphenyl)methanone is sourced from PubChem (CID 139085201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).